SmMn(H4Au)2
Alexandria ALEXAlex-ID: agm007479150 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1153_spg2
Sm14Au51 SmMnH6 MnAu4 H6Au
2024-02-09 02:51:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007479150).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007479150
data_agm007479150
_cell_length_a 4.64364
_cell_length_b 4.64364
_cell_length_c 6.18350
_cell_angle_alpha 65.30490
_cell_angle_beta 65.30490
_cell_angle_gamma 69.17301
_cell_volume 107.38494
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.02966 0.02966 0.27787 1.00000
H2 H 0.24853 0.24853 0.90707 1.00000
H3 H 0.97034 0.97034 0.72213 1.00000
H4 H 0.75147 0.75147 0.09293 1.00000
H5 H 0.93763 0.33944 0.73726 1.00000
H6 H 0.06237 0.66056 0.26274 1.00000
H7 H 0.33944 0.93763 0.73726 1.00000
H8 H 0.66056 0.06237 0.26274 1.00000
Au1 Au 0.70875 0.70875 0.81944 1.00000
Au2 Au 0.29125 0.29125 0.18056 1.00000
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